(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine

C12H15F3N2 — CID 134468900

IUPAC(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine
SMILESC=C1C(C)=CC(CC)=CN1/N=C(\C)C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-5-11-6-8(2)9(3)17(7-11)16-10(4)12(13,14)15/h6-7H,3,5H2,1-2,4H3/b16-10+
InChIKeyRUPZFVDWIAOXAL-MHWRWJLKSA-N
MW244.26 g/mol
LogP3.99
Rot. Bonds2

About (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine

(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine (PubChem CID 134468900) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine.

Molecular Properties

Compound Name(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine
PubChem CID134468900
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine
SMILESC=C1C(C)=CC(CC)=CN1/N=C(\C)C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-5-11-6-8(2)9(3)17(7-11)16-10(4)12(13,14)15/h6-7H,3,5H2,1-2,4H3/b16-10+
InChIKeyRUPZFVDWIAOXAL-MHWRWJLKSA-N
XLogP3.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine?
The IUPAC name of (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine (CID 134468900) is (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine.
What is the SMILES notation for (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine?
The canonical SMILES for (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine is C=C1C(C)=CC(CC)=CN1/N=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine?
The InChIKey is RUPZFVDWIAOXAL-MHWRWJLKSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-5-11-6-8(2)9(3)17(7-11)16-10(4)12(13,14)15/h6-7H,3,5H2,1-2,4H3/b16-10+.
What are the key properties of (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine?
(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine has a molecular weight of 244.26 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine is sourced from PubChem (CID 134468900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).